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Home > Pyridines > 159307-02-5
159307-02-5 | 2-Pyridinecarbonitrile, 6-acetyl-
CAS No: 159307-02-5 Catalog No: AG001QLR MDL No:
Product Description
Catalog Number:
AG001QLR
Chemical Name:
2-Pyridinecarbonitrile, 6-acetyl-
CAS Number:
159307-02-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
6-acetylpyridine-2-carbonitrile
InChI:
InChI=1S/C8H6N2O/c1-6(11)8-4-2-3-7(5-9)10-8/h2-4H,1H3
InChI Key:
LECIQDJPKUDAHR-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(n1)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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